UCSF

ZINC37820441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.76 -5.37 -49.04 6 8 1 129 307.396 4
Hi High (pH 8-9.5) -1.76 -5.74 -65.89 5 8 0 131 306.388 4

Activity (Go SEA)

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