UCSF

ZINC42876787

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 1.03 -0.47 -8.7 1 6 0 60 281.308 5
Mid Mid (pH 6-8) 1.03 1.84 -45.34 2 6 1 62 282.316 5

Activity (Go SEA)

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