UCSF

ZINC03909954

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 26 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) 5.03 -1.1 -15.75 2 5 0 62 364.836 3
Mid Mid (pH 6-8) 1.29 -0.89 -29.89 3 5 1 65 365.844 3

Activity (Go SEA)

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