UCSF

ZINC19927220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 30 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) 2.18 7.21 -50.47 4 11 1 142 430.88 6
Hi High (pH 8-9.5) 2.18 4.68 -15.19 3 11 0 140 429.872 6

Activity (Go SEA)

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