UCSF

ZINC42771036

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) 2.53 7.88 -41.88 1 4 0 58 239.315 5
Hi High (pH 8-9.5) 2.53 6.3 -48.94 0 4 -1 57 238.307 5

Activity (Go SEA)

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