UCSF

ZINC33758668

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 No

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) 4.25 11.48 -51.05 0 8 -1 105 492.577 9
Lo Low (pH 4.5-6) 4.25 10.19 -19.99 1 8 0 102 493.585 9

Activity (Go SEA)

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