UCSF

ZINC35167743

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 5.07 14.08 -42.95 1 4 1 31 378.54 7
Mid Mid (pH 6-8) 5.07 11.87 -10.45 0 4 0 30 377.532 7

Activity (Go SEA)

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