UCSF

ZINC34667300

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 1.15 3.93 -12.42 1 6 0 62 368.449 9
Mid Mid (pH 6-8) 1.15 6.27 -48.02 2 6 1 63 369.457 9

Activity (Go SEA)

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