UCSF

ZINC27662405

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 34 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) 4.91 10.03 -46.22 1 6 -1 90 521.387 6
Hi High (pH 8-9.5) 4.91 10.79 -103.04 0 6 -2 93 520.379 6
Lo Low (pH 4.5-6) 4.91 9.21 -13.63 2 6 0 87 522.395 6

Activity (Go SEA)

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