UCSF

ZINC41053700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 13 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) 0.15 2.55 -87.41 4 3 2 35 187.331 3
Mid Mid (pH 6-8) 0.15 1.97 -107.52 4 3 2 35 187.331 3
Mid Mid (pH 6-8) 0.15 0.29 -41.2 3 3 1 34 186.323 3

Activity (Go SEA)

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