UCSF

ZINC34960734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.99 5.8 -35.89 1 3 1 21 274.841 5
Mid Mid (pH 6-8) 1.99 5.82 -36.3 1 3 1 21 274.841 5
Mid Mid (pH 6-8) 1.99 3.54 -4.86 0 3 0 19 273.833 5

Activity (Go SEA)

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