UCSF

ZINC37988148

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 2.42 5.48 -27.75 2 4 1 48 244.318 3
Mid Mid (pH 6-8) 2.42 5.38 -12.2 1 4 0 47 243.31 3
Mid Mid (pH 6-8) 2.42 5.5 -28.23 2 4 1 48 244.318 3

Activity (Go SEA)

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