UCSF

ZINC41678346

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.53 9.56 -46.56 3 4 1 48 267.784 5
Mid Mid (pH 6-8) 2.53 10.04 -84.8 4 4 2 50 268.792 5

Activity (Go SEA)

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