UCSF

ZINC53148795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 2.95 7.39 -33.76 2 2 1 16 265.808 3
Mid Mid (pH 6-8) 2.95 6.21 -43.16 2 2 1 20 265.808 3
Lo Low (pH 4.5-6) 2.95 8.56 -109.05 3 2 2 21 266.816 3

Activity (Go SEA)

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