UCSF

ZINC39752716

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 29 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) 1.92 3.21 -29.57 2 11 0 152 397.347 7
Hi High (pH 8-9.5) 1.99 0.55 -65.19 1 11 -1 159 396.339 7

Activity (Go SEA)

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