UCSF

ZINC37079544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 0.36 1.1 -42.8 3 3 1 40 199.318 5
Hi High (pH 8-9.5) 0.36 0.51 -2.06 2 3 0 38 198.31 5
Mid Mid (pH 6-8) 0.36 2.93 -117.64 4 3 2 41 200.326 5
Mid Mid (pH 6-8) 0.36 2.48 -28.19 3 3 1 40 199.318 5

Activity (Go SEA)

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