UCSF

ZINC42456651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.82 8.06 -124.61 4 2 2 32 268.47 7
Hi High (pH 8-9.5) 2.82 8.32 -33.16 3 2 1 30 267.462 7
Mid Mid (pH 6-8) 2.82 6.09 -46.05 3 2 1 31 267.462 7

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Rings

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