UCSF

ZINC38837262

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 33 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) 6.15 15.28 -56.81 1 5 1 55 479.025 7
Hi High (pH 8-9.5) 6.15 12.81 -12.84 0 5 0 54 478.017 7

Activity (Go SEA)

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