UCSF

ZINC34581266

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 10 No

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) -1.01 -2.16 -50.84 4 4 1 74 143.166 0
Mid Mid (pH 6-8) -1.01 -2.42 -7.73 3 4 0 72 142.158 0

Activity (Go SEA)

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