UCSF

ZINC36706152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 38 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) 5.64 11.81 -16.74 0 7 0 72 529.662 9
Lo Low (pH 4.5-6) 5.64 14.08 -52.06 1 7 1 73 530.67 9

Activity (Go SEA)

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