UCSF

ZINC44722843

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) -0.48 3.72 -37.1 2 4 1 37 212.317 4
Hi High (pH 8-9.5) -0.48 1.31 -7.94 1 4 0 36 211.309 4
Lo Low (pH 4.5-6) -0.48 4.91 -109.69 3 4 2 41 213.325 4

Activity (Go SEA)

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