UCSF

ZINC36926700

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 13 No

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) -0.18 0.55 -40.53 3 4 1 55 205.303 5
Mid Mid (pH 6-8) -0.18 -0.83 -7.3 2 4 0 50 204.295 5

Activity (Go SEA)

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