UCSF

ZINC35663149

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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) 1.16 7.74 -48.77 0 7 -1 86 291.283 7
Mid Mid (pH 6-8) 1.16 8.25 -64.75 1 7 0 87 292.291 7

Activity (Go SEA)

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