UCSF

ZINC50989374

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2010 21 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) 4.50 9.86 -32.57 2 3 1 34 328.263 6
Hi High (pH 8-9.5) 4.32 9.02 -25.12 1 3 0 40 327.255 6

Activity (Go SEA)

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