UCSF

ZINC37759719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 15 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) 1.22 4.84 -87.45 3 3 2 24 213.369 5
Mid Mid (pH 6-8) 1.22 2.47 -37.05 2 3 1 23 212.361 5

Activity (Go SEA)

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