UCSF

ZINC19846664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 0.97 3.13 -9.52 1 5 0 65 259.309 4
Mid Mid (pH 6-8) 0.97 5.46 -45.02 2 5 1 67 260.317 4

Activity (Go SEA)

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