UCSF

ZINC44475981

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 18 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) 2.42 0.87 -7.58 1 5 0 68 357.657 6
Hi High (pH 8-9.5) 2.42 1.02 -36.74 0 5 -1 70 356.649 6

Activity (Go SEA)

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