UCSF

ZINC34933538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 4.94 12.06 -56.17 0 6 -1 79 490.963 10
Lo Low (pH 4.5-6) 4.94 11.3 -13.03 1 6 0 76 491.971 10

Activity (Go SEA)

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