UCSF

ZINC33726102

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 3.70 5.27 -25 2 8 0 110 486.497 8
Hi High (pH 8-9.5) 3.89 4.2 -48.9 1 8 -1 117 485.489 8

Activity (Go SEA)

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