UCSF

ZINC20123412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 2.04 7.67 -47.95 2 3 1 53 238.314 4
Hi High (pH 8-9.5) 2.04 6.38 -7.43 1 3 0 49 237.306 4

Activity (Go SEA)

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