UCSF

ZINC19788726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 3.50 8.2 -34.13 1 2 1 8 267.824 4
Mid Mid (pH 6-8) 3.50 8.29 -37.08 1 2 1 8 267.824 4
Mid Mid (pH 6-8) 3.50 5.96 -2.46 0 2 0 6 266.816 4

Activity (Go SEA)

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