UCSF

ZINC36079467

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 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) 1.81 5.28 -39.05 2 3 1 34 227.353 5
Mid Mid (pH 6-8) 1.81 2.76 -7.49 1 3 0 32 226.345 5
Mid Mid (pH 6-8) 1.99 2.53 -30.17 2 3 1 37 227.353 5

Activity (Go SEA)

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