UCSF

ZINC32590187

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 28 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) 0.61 5.39 -19.25 0 8 0 75 382.42 4
Lo Low (pH 4.5-6) 0.61 5.77 -59.18 1 8 1 76 383.428 4

Activity (Go SEA)

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