UCSF

ZINC29415505

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 1.20 9.84 -65.59 0 6 -1 84 379.367 2
Mid Mid (pH 6-8) 1.20 10.22 -89.14 1 6 0 86 380.375 2

Activity (Go SEA)

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