UCSF

ZINC36194208

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.57 0.91 -7.19 2 4 0 53 206.245 2
Lo Low (pH 4.5-6) 0.57 1.36 -23.93 3 4 0 54 207.253 2
Lo Low (pH 4.5-6) 0.57 1.37 -23.92 3 4 0 54 207.253 2

Activity (Go SEA)

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