UCSF

ZINC37049154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -1.02 1.92 -97.3 4 6 2 65 286.42 5
Mid Mid (pH 6-8) -1.02 1.73 -109.65 4 6 2 65 286.42 5
Mid Mid (pH 6-8) -1.02 -0.25 -50.01 3 6 1 64 285.412 5

Activity (Go SEA)

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