UCSF

ZINC36232206

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) 2.02 2.72 -45.4 3 3 1 40 241.399 2
Lo Low (pH 4.5-6) 2.02 5.22 -115.83 4 3 2 41 242.407 2

Activity (Go SEA)

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