UCSF

ZINC37995392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 4.18 9.77 -7.39 1 3 0 30 279.387 5
Mid Mid (pH 6-8) 4.18 10.25 -28.08 2 3 1 31 280.395 5

Activity (Go SEA)

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