UCSF

ZINC58118486

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 22 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) 3.81 7.19 -48.77 1 5 -1 86 383.243 4
Mid Mid (pH 6-8) 3.81 7.15 -105.59 0 5 -2 88 382.235 4

Activity (Go SEA)

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