UCSF

ZINC37094707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.63 5.19 -131.69 4 4 2 51 268.401 8
Mid Mid (pH 6-8) 1.63 2.95 -49.64 3 4 1 49 267.393 8
Mid Mid (pH 6-8) 1.63 5.71 -34.6 3 4 1 49 267.393 8

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Rings

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