UCSF

ZINC42781520

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 3.63 8.3 -54.3 0 4 -1 56 307.782 2
Lo Low (pH 4.5-6) 3.63 8.73 -33.58 1 4 0 58 308.79 2

Activity (Go SEA)

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