UCSF

ZINC42818490

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 0.01 2.4 -98.08 4 4 2 51 218.341 6
Hi High (pH 8-9.5) 0.01 0.98 -33.96 3 4 1 46 217.333 6
Mid Mid (pH 6-8) 0.01 2.95 -40.24 3 4 1 53 217.333 6

Activity (Go SEA)

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