UCSF

ZINC34959964

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 38 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) 1.59 11.13 -45.95 5 10 1 137 515.594 9
Hi High (pH 8-9.5) 1.59 8.56 -12.34 4 10 0 136 514.586 9

Activity (Go SEA)

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