UCSF

ZINC42868053

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 3.23 4.48 -49.34 4 3 1 57 241.399 5
Hi High (pH 8-9.5) 3.23 4.16 -5.34 3 3 0 55 240.391 5

Activity (Go SEA)

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