UCSF

ZINC36640507

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 35 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) 6.43 12.71 -44.86 1 7 1 65 500.685 14
Hi High (pH 8-9.5) 6.43 11.01 -14.01 0 7 0 64 499.677 14

Activity (Go SEA)

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