UCSF

ZINC37109789

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.83 4.1 -133.68 4 4 2 51 252.358 5
Mid Mid (pH 6-8) 1.83 3.3 -48.27 3 4 1 49 251.35 5
Mid Mid (pH 6-8) 1.83 3.73 -35.89 3 4 1 49 251.35 5

Activity (Go SEA)

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