UCSF

ZINC01302876

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 28 No

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) 4.32 1.42 -22.7 1 7 0 92 372.384 4
Mid Mid (pH 6-8) 4.32 1.56 -40.7 2 7 1 93 373.392 4

Activity (Go SEA)

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