UCSF

ZINC44686312

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 0.68 4.7 -50.92 2 4 1 51 307.439 3
Hi High (pH 8-9.5) 0.68 2.37 -12.26 1 4 0 49 306.431 3

Activity (Go SEA)

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