UCSF

ZINC33851747

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 36 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) 6.22 17.3 -12.84 0 5 0 49 476.624 7
Lo Low (pH 4.5-6) 6.22 17.62 -37.88 1 5 1 51 477.632 7

Activity (Go SEA)

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