UCSF

ZINC19823775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 1.84 3.92 -31.93 2 3 1 28 221.324 2
Hi High (pH 8-9.5) 1.84 2.06 -4.46 1 3 0 27 220.316 2
Hi High (pH 8-9.5) 1.84 5.01 -26.13 1 3 0 31 220.316 2
Mid Mid (pH 6-8) 1.84 6.29 -104.36 3 3 2 29 222.332 2

Activity (Go SEA)

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