UCSF

ZINC36778448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) -0.45 2.95 -46.84 2 5 1 53 263.365 4
Hi High (pH 8-9.5) -0.45 1.59 -13.33 1 5 0 48 262.357 4
Lo Low (pH 4.5-6) -0.45 3.35 -81.78 3 5 2 54 264.373 4

Activity (Go SEA)

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