UCSF

ZINC23360599

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 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) 2.95 8.02 -40.63 3 5 1 55 382.528 7
Lo Low (pH 4.5-6) 2.95 9.23 -132.01 4 5 2 59 383.536 7

Activity (Go SEA)

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