UCSF

ZINC39301478

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 4.03 10.4 -17.67 5 9 0 127 455.522 9
Mid Mid (pH 6-8) 4.03 10.48 -40.4 6 9 1 128 456.53 9
Mid Mid (pH 6-8) 4.03 10.37 -41.46 6 9 1 128 456.53 9

Activity (Go SEA)

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