UCSF

ZINC21817048

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.20 -0.35 -18.03 5 6 0 115 325.777 4
Mid Mid (pH 6-8) 1.20 -0.28 -48.4 4 6 -1 117 324.769 4

Activity (Go SEA)

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