UCSF

ZINC00936114

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 29 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) 5.98 14.46 -14.25 1 4 0 46 442.316 3
Mid Mid (pH 6-8) 5.98 14.88 -32.64 2 4 1 48 443.324 3

Activity (Go SEA)

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