UCSF

ZINC34626358

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 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) 1.74 3.41 -35.15 2 1 1 17 154.155 1
Mid Mid (pH 6-8) 1.74 2.1 -1.79 1 1 0 12 153.147 1

Activity (Go SEA)

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