UCSF

ZINC36724571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 27 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) 3.47 5.79 -52.34 4 5 1 76 374.501 10
Hi High (pH 8-9.5) 3.47 4.31 -10.84 3 5 0 71 373.493 10

Activity (Go SEA)

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