UCSF

ZINC26163384

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 25 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) 5.11 12.04 -24.99 1 4 1 31 338.475 8
Hi High (pH 8-9.5) 5.11 11.63 -11.24 0 4 0 30 337.467 8

Activity (Go SEA)

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