UCSF

ZINC37140323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 16 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) 1.19 1.51 -41.68 4 4 1 63 228.36 7
Mid Mid (pH 6-8) 1.19 3.7 -105.26 5 4 2 64 229.368 7

Activity (Go SEA)

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