UCSF

ZINC00804066

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 32 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) 4.75 6.97 -16.07 3 7 0 96 469.95 6
Mid Mid (pH 6-8) 4.75 7.31 -40.27 4 7 1 97 470.958 6

Activity (Go SEA)

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