UCSF

ZINC34616698

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 16 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) 2.10 5.92 -41.91 3 2 1 32 213.304 0
Mid Mid (pH 6-8) 2.10 4.7 -4.3 2 2 0 28 212.296 0

Activity (Go SEA)

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