UCSF

ZINC01791764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 23 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) 0.18 5.64 -14 3 6 0 89 309.373 2
Mid Mid (pH 6-8) 0.18 7.3 -62.49 4 6 1 90 310.381 2
Mid Mid (pH 6-8) 0.18 5.11 -18 3 6 0 89 309.373 2
Mid Mid (pH 6-8) 0.18 7.73 -129.41 5 6 2 92 311.389 2
Mid Mid (pH 6-8) 0.18 6.91 -55.13 4 6 1 90 310.381 2
Mid Mid (pH 6-8) 0.18 7.99 -60.13 4 6 1 90 310.381 2

Activity (Go SEA)

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