UCSF

ZINC35031844

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 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) 5.18 13.12 -16.97 0 6 0 75 432.501 5
Hi High (pH 8-9.5) 4.99 12.42 -53.6 0 6 -1 81 431.493 4

Activity (Go SEA)

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