UCSF

ZINC22035236

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 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) 4.39 13.18 -36.91 1 3 1 13 380.943 4
Mid Mid (pH 6-8) 4.39 13.04 -36.93 1 3 1 13 380.943 4
Mid Mid (pH 6-8) 4.39 10.71 -4.66 0 3 0 11 379.935 4

Activity (Go SEA)

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