UCSF

ZINC37098013

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) 2.82 7.31 -126.97 4 3 2 41 274.408 6
Mid Mid (pH 6-8) 2.82 5.37 -48.52 3 3 1 40 273.4 6
Mid Mid (pH 6-8) 2.82 7.58 -34.66 3 3 1 40 273.4 6

Activity (Go SEA)

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