UCSF

ZINC62964665

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) -0.21 3.62 -172.95 5 4 3 40 243.419 3
Hi High (pH 8-9.5) -0.21 0.29 -36.84 3 4 1 37 241.403 3
Mid Mid (pH 6-8) -0.21 1.23 -104.29 4 4 2 39 242.411 3

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

No pre-computed analogs available. Try a structural similarity search.