UCSF

ZINC37796952

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.78 4.63 -78.8 4 5 0 97 270.373 7
Mid Mid (pH 6-8) 0.78 2.76 -53.35 5 5 1 94 271.381 7

Activity (Go SEA)

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