UCSF

ZINC36297628

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 20 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) -0.99 -0.49 -59.88 5 6 1 107 314.412 5
Hi High (pH 8-9.5) -0.54 -3.21 -42.03 3 6 -1 108 312.396 5
Mid Mid (pH 6-8) -0.54 -2.78 -68.45 4 6 0 110 313.404 5

Activity (Go SEA)

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