UCSF

ZINC37098572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 9 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) 1.01 1.79 -35.64 2 2 1 20 131.243 5
Mid Mid (pH 6-8) 1.01 4.1 -104.42 3 2 2 21 132.251 5
Mid Mid (pH 6-8) 1.01 2.66 -31.38 2 2 1 16 131.243 5

Activity (Go SEA)

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