UCSF

ZINC34699619

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 27 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) 4.55 14.18 -51.86 2 6 1 60 381.891 5
Hi High (pH 8-9.5) 4.55 11.71 -13.16 1 6 0 58 380.883 5

Activity (Go SEA)

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