UCSF

ZINC41513811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 4.53 11.08 -38.57 2 5 1 68 381.496 7
Hi High (pH 8-9.5) 4.53 11.67 -21.56 1 5 0 71 380.488 7
Lo Low (pH 4.5-6) 4.53 11.42 -79.12 3 5 2 69 382.504 7

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

No pre-computed analogs available. Try a structural similarity search.