UCSF

ZINC34931382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 5.20 12.62 -59.49 0 7 -1 88 514.598 13
Lo Low (pH 4.5-6) 5.20 11.88 -14.03 1 7 0 85 515.606 13

Activity (Go SEA)

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