UCSF

ZINC36155741

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.12 3.52 -13.46 0 5 0 60 247.298 2
Lo Low (pH 4.5-6) 1.12 5.58 -51.1 1 5 1 62 248.306 2

Activity (Go SEA)

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