UCSF

ZINC34964601

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 2.44 10.88 -41.95 1 6 1 54 374.505 9
Hi High (pH 8-9.5) 2.44 8.68 -11.92 0 6 0 53 373.497 9

Activity (Go SEA)

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