UCSF

ZINC41655557

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) 4.03 8.72 -54.9 0 3 -1 53 242.298 3
Mid Mid (pH 6-8) 4.03 9.07 -48.7 1 3 0 54 243.306 3

Activity (Go SEA)

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