UCSF

ZINC19850984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.43 7.41 -40.05 1 4 1 26 303.426 3
Hi High (pH 8-9.5) 3.43 5.15 -5.01 0 4 0 25 302.418 3
Mid Mid (pH 6-8) 3.43 7.48 -41.87 1 4 1 26 303.426 3

Activity (Go SEA)

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