UCSF

ZINC22167394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) 0.13 5.69 -30.24 3 2 1 30 193.314 4
Hi High (pH 8-9.5) 0.13 4.12 -40.95 3 2 1 31 193.314 4
Mid Mid (pH 6-8) 0.13 6.09 -125.2 4 2 2 32 194.322 4

Activity (Go SEA)

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