UCSF

ZINC39304827

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 1.50 10.35 -46.12 1 6 1 62 391.495 4
Mid Mid (pH 6-8) 1.50 9.89 -14.44 0 6 0 60 390.487 4

Activity (Go SEA)

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