UCSF

ZINC34964452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 1.83 2.88 -39.49 4 6 1 91 269.284 2
Hi High (pH 8-9.5) 1.83 2.42 -11.27 3 6 0 90 268.276 2

Activity (Go SEA)

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