UCSF

ZINC01548412

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 19 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) 0.78 -2.73 -12.6 2 7 0 92 266.301 6
Mid Mid (pH 6-8) 0.78 -2.45 -51.93 3 7 1 94 267.309 6

Activity (Go SEA)

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