UCSF

ZINC04311119

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 29 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) 0.96 6 -55.34 0 7 -1 86 392.435 6
Mid Mid (pH 6-8) 1.41 -1.2 -46.32 2 7 1 84 394.451 5
Mid Mid (pH 6-8) 0.38 -1.98 -49.4 1 7 1 81 394.451 6
Mid Mid (pH 6-8) 0.96 8.35 -74.87 1 7 0 87 393.443 6
Lo Low (pH 4.5-6) 1.41 -1.4 -119.87 3 7 2 85 395.459 5
Lo Low (pH 4.5-6) 1.41 -1.08 -109.35 3 7 2 85 395.459 5

Activity (Go SEA)

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