UCSF

ZINC20247477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.04 1.82 -107.16 4 6 2 70 280.438 6
Mid Mid (pH 6-8) -0.04 0.43 -45.48 3 6 1 66 279.43 6

Activity (Go SEA)

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