UCSF

ZINC51019782

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2010 15 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) 1.53 3.29 -35.12 2 3 1 28 215.361 7
Hi High (pH 8-9.5) 1.53 3.29 -33.53 2 3 1 28 215.361 7
Hi High (pH 8-9.5) 1.53 1.03 -3.4 1 3 0 27 214.353 7

Activity (Go SEA)

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