UCSF

ZINC61872362

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2011 21 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) 1.62 5.99 -53.47 4 4 1 70 286.399 3
Mid Mid (pH 6-8) 1.62 5.59 -6.63 3 4 0 68 285.391 3

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

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