UCSF

ZINC32127691

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 4.43 7.95 -5.53 0 3 0 39 281.355 6
Lo Low (pH 4.5-6) 4.43 9.02 -44.15 1 3 1 40 282.363 6

Activity (Go SEA)

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