UCSF

ZINC08777197

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 14 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) 1.18 6.86 -8.58 0 4 0 44 202.242 1
Mid Mid (pH 6-8) 1.18 7.35 -38.48 1 4 1 45 203.25 1

Activity (Go SEA)

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