UCSF

ZINC70192997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 19 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) -0.23 4.07 -45.16 6 7 1 111 266.373 5
Mid Mid (pH 6-8) -0.23 6.19 -102.3 7 7 2 112 267.381 5

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

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