UCSF

ZINC20652680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 3.66 8.21 -37.48 1 4 1 26 307.458 9
Hi High (pH 8-9.5) 3.66 5.74 -5.6 0 4 0 25 306.45 9
Mid Mid (pH 6-8) 3.66 8.07 -39.52 1 4 1 26 307.458 9

Activity (Go SEA)

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