UCSF

ZINC22218698

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 Yes

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) 1.36 3.37 -37.3 3 4 1 46 254.741 4
Mid Mid (pH 6-8) 1.36 2.14 -41.53 3 4 1 49 254.741 4
Mid Mid (pH 6-8) 1.36 0.86 -6.45 2 4 0 44 253.733 4
Mid Mid (pH 6-8) 1.36 4.68 -114.09 4 4 2 50 255.749 4
Mid Mid (pH 6-8) 1.36 0.9 -6.64 2 4 0 44 253.733 4
Mid Mid (pH 6-8) 1.36 2.14 -40.21 3 4 1 49 254.741 4
Lo Low (pH 4.5-6) 1.36 4.62 -111.47 4 4 2 50 255.749 4

Activity (Go SEA)

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