UCSF

ZINC40197118

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2010 23 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) 3.08 7.68 -10.78 1 5 0 60 311.385 6
Mid Mid (pH 6-8) 3.08 8.18 -30.3 2 5 1 61 312.393 6

Activity (Go SEA)

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