UCSF

ZINC00819174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 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) 3.26 10.04 -35.51 1 1 1 4 230.306 4
Hi High (pH 8-9.5) 3.26 7.71 -4.5 0 1 0 3 229.298 4

Activity (Go SEA)

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