UCSF

ZINC23282370

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 21 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) 3.23 7.55 -36.84 1 3 1 11 288.459 4
Hi High (pH 8-9.5) 3.23 7.66 -36.49 1 3 1 11 288.459 4
Mid Mid (pH 6-8) 3.23 10.98 -106.58 2 3 2 12 289.467 4

Activity (Go SEA)

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