UCSF

ZINC19722385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 19 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) 1.00 6.16 -43.97 2 4 1 37 260.361 2
Mid Mid (pH 6-8) 1.00 3.91 -9.54 1 4 0 36 259.353 2

Activity (Go SEA)

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