UCSF

ZINC59046456

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 22 Yes

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) 2.46 11.89 -79.65 2 3 2 18 306.494 9
Hi High (pH 8-9.5) 2.46 9.66 -35.32 1 3 1 17 305.486 9

Activity (Go SEA)

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