UCSF

ZINC00718204

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 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) 3.61 2.63 -16.84 0 10 0 93 489.532 7
Mid Mid (pH 6-8) 3.61 2.87 -46.17 1 10 1 95 490.54 7

Activity (Go SEA)

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