UCSF

ZINC00309110

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 0.93 7.38 -10.66 0 6 0 62 234.259 2
Mid Mid (pH 6-8) 0.93 7.86 -47.49 1 6 1 63 235.267 2

Activity (Go SEA)

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