UCSF

ZINC34961393

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) -0.43 0.78 -9.42 3 4 0 72 232.161 2
Mid Mid (pH 6-8) 0.02 -1.85 -45.37 2 4 -1 75 231.153 2
Lo Low (pH 4.5-6) -0.43 1.12 -60.6 4 4 1 74 233.169 2

Activity (Go SEA)

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