UCSF

ZINC42450588

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) 2.19 3.09 -1.57 2 3 0 38 240.391 2
Mid Mid (pH 6-8) 2.19 4.91 -110.97 4 3 2 41 242.407 2
Lo Low (pH 4.5-6) 2.19 5.22 -31.04 3 3 1 40 241.399 2

Activity (Go SEA)

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