UCSF

ZINC26377144

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 22 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) 3.45 4.62 -99.15 5 4 2 71 316.426 3
Hi High (pH 8-9.5) 3.26 4.95 -51.11 4 4 1 66 315.418 4

Activity (Go SEA)

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