UCSF

ZINC23247833

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 19 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) 3.07 8.67 -34.36 1 2 1 8 275.441 7
Hi High (pH 8-9.5) 3.07 6.49 -3.09 0 2 0 6 274.433 7
Mid Mid (pH 6-8) 3.07 9.04 -38.24 1 2 1 8 275.441 7

Activity (Go SEA)

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