UCSF

ZINC35728215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) -1.15 -0.62 -10.1 4 6 0 87 262.313 3
Mid Mid (pH 6-8) -1.15 0.67 -51.45 5 6 1 92 263.321 3

Activity (Go SEA)

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