UCSF

ZINC37209578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 3.15 10.89 -174.27 4 3 3 25 298.539 7
Mid Mid (pH 6-8) 3.15 8.77 -96.01 3 3 2 24 297.531 7
Mid Mid (pH 6-8) 3.15 9.88 -73.55 3 3 2 21 297.531 7

Activity (Go SEA)

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