UCSF

ZINC44331780

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 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) 0.81 1.41 -51.76 4 4 1 74 232.206 4
Hi High (pH 8-9.5) 0.81 1.84 -46.77 2 4 -1 75 230.19 4
Mid Mid (pH 6-8) 0.81 2.17 -68.09 3 4 0 77 231.198 4
Mid Mid (pH 6-8) 0.81 1.1 -8.24 3 4 0 73 231.198 4

Activity (Go SEA)

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