UCSF

ZINC19729341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 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) 2.72 7.45 -40.23 2 3 1 33 314.478 3
Hi High (pH 8-9.5) 2.72 6.04 -5.18 1 3 0 28 313.47 3

Activity (Go SEA)

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