UCSF

ZINC59379158

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 19 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) 4.62 12.25 -36.48 1 1 1 4 254.397 6
Hi High (pH 8-9.5) 4.62 10.25 -2.8 0 1 0 3 253.389 6

Activity (Go SEA)

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