UCSF

ZINC36776838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) -0.08 2.75 -12.1 1 4 0 45 237.328 3
Mid Mid (pH 6-8) -0.08 3.85 -44.42 2 4 1 50 238.336 3
Lo Low (pH 4.5-6) -0.08 4.31 -87.42 3 4 2 51 239.344 3

Activity (Go SEA)

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