UCSF

ZINC58173197

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 22 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) 2.91 7 -10.9 0 4 0 50 381.295 5
Lo Low (pH 4.5-6) 2.91 7.46 -37.46 1 4 1 52 382.303 5

Activity (Go SEA)

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