UCSF

ZINC20202973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 22 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) 2.32 4.95 -33.06 2 4 1 37 307.458 7
Hi High (pH 8-9.5) 2.32 2.77 -6.12 1 4 0 36 306.45 7
Mid Mid (pH 6-8) 2.32 5.15 -33.72 2 4 1 37 307.458 7

Activity (Go SEA)

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