UCSF

ZINC78794105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2012 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) 3.69 10.32 -51.73 0 3 -1 43 244.314 6
Mid Mid (pH 6-8) 3.69 10.65 -61.25 1 3 0 45 245.322 6

Activity (Go SEA)

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