UCSF

ZINC35014709

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 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) 4.39 13.91 -127.95 3 3 2 30 376.544 11
Hi High (pH 8-9.5) 4.39 10.48 -5.4 1 3 0 24 374.528 11
Hi High (pH 8-9.5) 4.39 12.27 -39.58 2 3 1 26 375.536 11
Mid Mid (pH 6-8) 4.39 11.81 -44.31 2 3 1 29 375.536 11

Activity (Go SEA)

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