UCSF

ZINC36838821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) -0.24 4.64 -34.95 3 6 0 99 271.342 7
Mid Mid (pH 6-8) -0.42 3.41 -52.18 2 6 -1 105 270.334 7

Activity (Go SEA)

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