UCSF

ZINC19902156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 3.09 6.63 -44.19 2 5 1 46 346.495 5
Hi High (pH 8-9.5) 3.09 4.28 -7.12 1 5 0 45 345.487 5
Mid Mid (pH 6-8) 3.09 6.18 -40.48 2 5 1 46 346.495 5

Activity (Go SEA)

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