UCSF

ZINC42813210

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 3.64 7.27 -31.02 2 2 1 26 275.199 4
Hi High (pH 8-9.5) 3.64 5.91 -3.05 1 2 0 21 274.191 4

Activity (Go SEA)

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