UCSF

ZINC31933022

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.57 7.23 -43.58 1 3 1 22 190.27 2
Mid Mid (pH 6-8) 1.57 5.09 -25.64 1 3 1 22 190.27 2
Mid Mid (pH 6-8) 1.57 4.69 -8.94 0 3 0 21 189.262 2
Mid Mid (pH 6-8) 1.57 7.63 -88.73 2 3 2 23 191.278 2

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