UCSF

ZINC45703549

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 13 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) 0.94 1.22 -30.33 3 3 1 40 189.323 7
Mid Mid (pH 6-8) 0.94 2.06 -29.12 3 3 1 37 189.323 7
Lo Low (pH 4.5-6) 0.94 3.31 -101.61 4 3 2 41 190.331 7

Activity (Go SEA)

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