UCSF

ZINC37080749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.20 6.01 -112.6 4 3 2 35 235.375 5
Mid Mid (pH 6-8) 1.20 6.28 -27.97 3 3 1 34 234.367 5
Mid Mid (pH 6-8) 1.20 4.1 -42.96 3 3 1 34 234.367 5

Activity (Go SEA)

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