UCSF

ZINC15919764

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 21 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) 1.46 5.38 -41.03 4 6 1 88 282.327 5
Mid Mid (pH 6-8) 1.46 5.45 -44.8 4 6 1 88 282.327 5
Mid Mid (pH 6-8) 1.46 5.48 -44.75 4 6 1 88 282.327 5
Mid Mid (pH 6-8) 1.46 4.99 -15.61 3 6 0 86 281.319 5
Mid Mid (pH 6-8) 1.46 4.91 -15.01 3 6 0 86 281.319 5
Mid Mid (pH 6-8) 1.46 4.96 -15.67 3 6 0 86 281.319 5
Mid Mid (pH 6-8) 1.46 4.89 -14.16 3 6 0 86 281.319 5

Activity (Go SEA)

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