UCSF

ZINC37995394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 3.74 9.1 -7.39 1 3 0 30 265.36 5
Mid Mid (pH 6-8) 3.74 9.57 -28.14 2 3 1 31 266.368 5

Activity (Go SEA)

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