UCSF

ZINC36777418

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 2.50 6.04 -45.63 3 3 1 44 290.475 5
Hi High (pH 8-9.5) 2.50 7.87 -32.25 3 3 1 43 290.475 5
Mid Mid (pH 6-8) 2.50 6.06 -101.61 4 3 2 45 291.483 5

Activity (Go SEA)

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