UCSF

ZINC67587507

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 28 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) 1.53 9.13 -19.1 2 6 0 78 374.444 4
Mid Mid (pH 6-8) 1.53 9.6 -37.88 3 6 1 79 375.452 4

Activity (Go SEA)

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