UCSF

ZINC34824583

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 16 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) 1.37 6.41 -35.3 2 4 1 38 225.36 5
Hi High (pH 8-9.5) 1.37 5.24 -4.63 1 4 0 33 224.352 5
Mid Mid (pH 6-8) 1.37 6.55 -87.53 3 4 2 39 226.368 5

Activity (Go SEA)

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