UCSF

ZINC16750384

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 26 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) 3.84 7.73 -11.95 2 5 0 69 345.402 4
Mid Mid (pH 6-8) 3.84 8.5 -51.89 1 5 -1 72 344.394 4

Activity (Go SEA)

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