UCSF

ZINC58248170

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 29 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) 2.54 8.93 -16.03 0 7 0 62 395.459 5
Lo Low (pH 4.5-6) 2.54 9.22 -39.56 1 7 1 64 396.467 5

Activity (Go SEA)

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