UCSF

ZINC39326691

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 35 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) 4.76 9.71 -15.69 2 7 0 98 471.557 6
Lo Low (pH 4.5-6) 4.76 10.17 -60.55 3 7 1 99 472.565 6

Activity (Go SEA)

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