UCSF

ZINC34992247

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.83 8.93 -32.07 2 2 1 16 289.468 6
Mid Mid (pH 6-8) 3.83 8.3 -40.99 2 2 1 20 289.468 6
Mid Mid (pH 6-8) 3.83 7.58 -2.97 1 2 0 15 288.46 6

Activity (Go SEA)

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