UCSF

ZINC53659860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 1.34 8.97 -110.3 3 4 2 39 266.433 6
Hi High (pH 8-9.5) 1.34 6.74 -43.11 2 4 1 38 265.425 6
Mid Mid (pH 6-8) 1.34 9.44 -168.6 4 4 3 40 267.441 6

Activity (Go SEA)

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