UCSF

ZINC35663384

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 15 No

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) 0.00 1.83 -42.24 3 4 1 46 230.357 4
Mid Mid (pH 6-8) 0.00 3.2 -93.84 4 4 2 50 231.365 4
Mid Mid (pH 6-8) 0.18 0.89 -42.34 3 4 1 56 230.357 4

Activity (Go SEA)

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