UCSF

ZINC31979156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 2.12 6.67 -86.7 3 5 0 86 308.422 3
Lo Low (pH 4.5-6) 2.12 5.55 -47.21 4 5 1 83 309.43 3

Activity (Go SEA)

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