UCSF

ZINC19677373

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 18 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) 0.49 4.34 -49.21 2 5 1 57 254.354 3
Hi High (pH 8-9.5) 0.49 3.05 -16.5 1 5 0 53 253.346 3

Activity (Go SEA)

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