UCSF

ZINC36863057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.61 -3.11 -10.6 5 5 0 91 183.211 3
Mid Mid (pH 6-8) -1.05 -4.95 -51.35 5 5 1 89 184.219 3

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Rings

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