UCSF

ZINC40055424

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 23 No

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) 4.57 7.35 -8.99 1 4 0 60 395.636 2
Hi High (pH 8-9.5) 4.57 8.27 -43.01 0 4 -1 63 394.628 2

Activity (Go SEA)

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