UCSF

ZINC13508473

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

CAS Number: 1240398-17-7

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) 1.81 8.51 -99.74 5 8 -1 157 495.662 20

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