UCSF

ZINC13683202

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 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) 3.70 8.23 -13.94 1 5 0 71 332.388 2
Ref Reference (pH 7) 3.21 8 -24.28 1 5 0 68 332.388 3
Mid Mid (pH 6-8) 2.95 7.61 -54.08 0 5 -1 69 331.38 2
Mid Mid (pH 6-8) 2.95 8.34 -23.72 1 5 0 71 332.388 2
Mid Mid (pH 6-8) 3.21 7.59 -54.13 0 5 -1 70 331.38 3
Lo Low (pH 4.5-6) 3.21 8.71 -39.49 2 5 1 69 333.396 3

Activity (Go SEA)

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