UCSF

ZINC39706648

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 30 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) 2.23 7.71 -14.8 2 7 0 91 402.454 4
Lo Low (pH 4.5-6) 2.23 8.1 -34.07 3 7 1 93 403.462 4

Activity (Go SEA)

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