UCSF

ZINC39724207

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 28 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) 5.90 11.86 -23.28 1 5 0 64 430.316 5
Mid Mid (pH 6-8) 6.09 9.26 -47.94 0 5 -1 70 429.308 5

Activity (Go SEA)

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