UCSF

ZINC32740662

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 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) 4.40 8.81 -16.01 1 5 0 68 394.887 3
Hi High (pH 8-9.5) 4.47 7.91 -48.87 0 5 -1 74 393.879 3

Activity (Go SEA)

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