UCSF

ZINC19891647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 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) 0.91 3.47 -45.02 2 4 1 45 267.324 5
Hi High (pH 8-9.5) 0.91 1.23 -10.27 1 4 0 44 266.316 5
Mid Mid (pH 6-8) 0.91 3.46 -37.23 2 4 1 45 267.324 5

Activity (Go SEA)

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