UCSF

ZINC34328220

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 25 No

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) -0.66 0.64 -15.37 2 9 0 130 369.399 6
Lo Low (pH 4.5-6) -0.66 1.16 -44.61 3 9 1 131 370.407 6

Activity (Go SEA)

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