UCSF

ZINC21640297

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 4.41 10.96 -6.73 0 4 0 32 350.51 3
Mid Mid (pH 6-8) 4.41 13.28 -46.19 1 4 1 33 351.518 3
Mid Mid (pH 6-8) 4.41 11.26 -32.29 1 4 1 34 351.518 3

Activity (Go SEA)

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