UCSF

ZINC31807422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 4.04 -8.3 2 5 0 74 260.322 2
Ref Reference (pH 7) 1.61 6.2 -10.34 2 5 0 71 260.322 2
Mid Mid (pH 6-8) 1.80 3.62 -42.11 1 5 -1 72 259.314 2
Mid Mid (pH 6-8) 1.61 5.98 -13.72 2 5 0 71 260.322 2
Mid Mid (pH 6-8) 1.80 3.8 -11.32 2 5 0 74 260.322 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )