UCSF

ZINC23071576

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 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) 0.37 3.53 -96.52 4 3 2 35 199.342 2
Hi High (pH 8-9.5) 0.37 1.2 -38.94 3 3 1 34 198.334 2
Mid Mid (pH 6-8) 0.37 3.35 -117.21 4 3 2 35 199.342 2

Activity (Go SEA)

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