UCSF

ZINC31964647

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 1.18 2.98 -60.99 5 5 1 86 262.333 5
Hi High (pH 8-9.5) 1.18 2.58 -16.43 4 5 0 84 261.325 5

Activity (Go SEA)

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