UCSF

ZINC38339182

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 12 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) 1.40 3.32 -36.84 2 2 1 20 169.292 1
Hi High (pH 8-9.5) 1.40 3.6 -30.1 2 2 1 16 169.292 1
Mid Mid (pH 6-8) 1.40 4.84 -98.31 3 2 2 21 170.3 1

Activity (Go SEA)

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