UCSF

ZINC31947283

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 1.04 5.65 -97.02 3 6 2 54 332.448 4
Hi High (pH 8-9.5) 1.04 3.13 -53.53 2 6 1 53 331.44 4
Hi High (pH 8-9.5) 1.04 4.25 -37.29 2 6 1 49 331.44 4

Activity (Go SEA)

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