UCSF

ZINC95932069

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2014 11 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) 1.28 4.8 -9.6 1 3 0 29 147.181 1
Mid Mid (pH 6-8) 1.28 5.28 -24.22 2 3 1 31 148.189 1
Lo Low (pH 4.5-6) 1.28 5.12 -36.8 2 3 1 34 148.189 1

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

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