UCSF

ZINC36232422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.27 3.83 -1.84 2 3 0 38 240.391 1
Mid Mid (pH 6-8) 2.27 5.19 -122.1 4 3 2 41 242.407 1
Lo Low (pH 4.5-6) 2.27 5.35 -30.01 3 3 1 40 241.399 1

Activity (Go SEA)

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