UCSF

ZINC34983717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 0.38 10.29 -35.71 2 4 1 53 358.465 4
Lo Low (pH 4.5-6) 0.38 10.72 -96.09 3 4 2 54 359.473 4

Activity (Go SEA)

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