UCSF

ZINC27753693

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 21 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) 3.69 10.19 -10.91 0 3 0 27 276.339 2
Mid Mid (pH 6-8) 3.69 10.58 -29.48 1 3 1 28 277.347 2

Activity (Go SEA)

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