UCSF

ZINC70118445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 21 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) 1.19 4.1 -104.95 4 7 2 94 306.395 3
Hi High (pH 8-9.5) 1.19 3.44 -15.92 2 7 0 91 304.379 3
Mid Mid (pH 6-8) 1.19 3.7 -57.84 3 7 1 93 305.387 3

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

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