UCSF

ZINC05737115

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 19 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) 1.23 6.1 -14.59 2 6 0 94 273.321 4
Hi High (pH 8-9.5) 1.23 5.94 -44.08 1 6 -1 93 272.313 4

Activity (Go SEA)

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