UCSF

ZINC13693851

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 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) 1.01 5.23 -61.27 0 9 -1 104 452.487 8
Mid Mid (pH 6-8) 1.45 6.24 -64.31 2 9 1 103 454.503 7
Mid Mid (pH 6-8) 0.42 7.46 -70.07 1 9 1 99 454.503 8
Mid Mid (pH 6-8) 1.01 7.57 -77.51 1 9 0 105 453.495 8
Lo Low (pH 4.5-6) 1.45 6.52 -124.82 3 9 2 104 455.511 7
Lo Low (pH 4.5-6) 0.42 7.74 -129.44 2 9 2 101 455.511 8

Activity (Go SEA)

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