UCSF

ZINC39051307

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 10 Yes

CAS Number: 155790-13-9

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) 0.76 1.83 -25.03 4 3 1 52 138.194 1
Mid Mid (pH 6-8) 0.76 1.46 -5.63 3 3 0 51 137.186 1

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