UCSF

ZINC59417017

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.14 4.03 -11.49 3 7 0 111 380.477 5
Mid Mid (pH 6-8) 2.14 5.98 -53.69 4 7 1 116 381.485 5
Lo Low (pH 4.5-6) 2.14 4.78 -24.13 4 7 0 112 381.485 5

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

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