UCSF

ZINC42450572

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.69 3.06 -1.68 2 3 0 38 240.391 2
Mid Mid (pH 6-8) 1.69 5.55 -116.24 4 3 2 41 242.407 2
Lo Low (pH 4.5-6) 1.69 5.31 -28.86 3 3 1 40 241.399 2

Activity (Go SEA)

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