UCSF

ZINC45664209

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.33 6.69 -31.71 1 3 1 25 241.399 6
Hi High (pH 8-9.5) 2.33 6.12 -32.02 1 3 1 25 241.399 6
Hi High (pH 8-9.5) 2.33 4.18 -4.76 0 3 0 24 240.391 6

Activity (Go SEA)

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