UCSF

ZINC37110024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.44 6.13 -36.62 3 4 1 49 279.404 5
Mid Mid (pH 6-8) 0.44 6.53 -132.03 4 4 2 51 280.412 5

Activity (Go SEA)

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