UCSF

ZINC19836994

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 1.27 0.86 -13.87 1 5 0 59 237.255 2
Hi High (pH 8-9.5) 1.27 1.7 -55.7 0 5 -1 62 236.247 2

Activity (Go SEA)

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