UCSF

ZINC20668487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 18 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) 1.61 5.49 -42.4 1 5 1 56 245.306 3
Hi High (pH 8-9.5) 1.61 3.22 -9.88 0 5 0 55 244.298 3
Lo Low (pH 4.5-6) 1.61 6.05 -88.26 2 5 2 57 246.314 3

Activity (Go SEA)

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