UCSF

ZINC21784482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.99 7.6 -14.11 2 6 0 84 369.446 5
Mid Mid (pH 6-8) 3.44 6.48 -46.81 1 6 -1 87 368.438 5

Activity (Go SEA)

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