UCSF

ZINC34370903

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 9 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) -0.04 0.93 -102.18 5 2 2 44 130.235 0
Mid Mid (pH 6-8) -0.04 0.64 -36.98 4 2 1 43 129.227 0

Activity (Go SEA)

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