UCSF

ZINC34205745

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 16 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) 0.09 4.42 -39.07 2 5 1 63 227.284 3
Hi High (pH 8-9.5) 0.09 3.3 -16.07 1 5 0 59 226.276 3

Activity (Go SEA)

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