UCSF

ZINC22862318

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 4.34 10.83 -41.33 1 3 1 17 339.503 7
Hi High (pH 8-9.5) 4.34 8.85 -4.48 0 3 0 16 338.495 7
Mid Mid (pH 6-8) 4.34 11.18 -39.72 1 3 1 17 339.503 7

Activity (Go SEA)

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