UCSF

ZINC20745400

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 19 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) 1.68 1.93 -9.83 2 5 0 71 275.333 2
Ref Reference (pH 7) 1.50 4.38 -8.93 2 5 0 67 275.333 2
Hi High (pH 8-9.5) 1.58 2.3 -46.03 0 5 -1 69 274.325 2
Mid Mid (pH 6-8) 1.50 4.36 -7.47 2 5 0 67 275.333 2
Mid Mid (pH 6-8) 1.68 1.95 -7.63 2 5 0 71 275.333 2

Activity (Go SEA)

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