UCSF

ZINC33830649

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 19 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) 3.98 4.97 -7.88 2 4 0 67 264.321 0
Hi High (pH 8-9.5) 3.98 6.06 -51.5 1 4 -1 70 263.313 0

Activity (Go SEA)

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