UCSF

ZINC22938567

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 25 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) 1.86 7.33 -114.31 2 5 0 40 363.551 7
Mid Mid (pH 6-8) 1.86 7.22 -12.55 2 5 0 40 363.551 7
Mid Mid (pH 6-8) 1.86 4.96 -13.46 1 5 0 39 362.543 7

Activity (Go SEA)

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