UCSF

ZINC43115265

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 15 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) 1.63 4.2 -39.81 3 2 1 31 225.381 3
Hi High (pH 8-9.5) 1.63 4.03 -1.49 2 2 0 29 224.373 3
Mid Mid (pH 6-8) 1.63 5.78 -110.21 4 2 2 32 226.389 3
Mid Mid (pH 6-8) 1.63 5.52 -30.91 3 2 1 30 225.381 3

Activity (Go SEA)

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