UCSF

ZINC03830748

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 27 No

CAS Number: 76095-16-4

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) 0.51 10.45 -66.25 2 7 0 103 376.453 10
Mid Mid (pH 6-8) 0.51 9.59 -74.6 1 7 -1 99 375.445 10

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