UCSF

ZINC39742859

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 37 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) 3.57 6.76 -17.67 2 14 0 198 504.415 8
Hi High (pH 8-9.5) 3.64 4.62 -49.34 1 14 -1 204 503.407 8

Activity (Go SEA)

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