UCSF

ZINC03831296

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 22 No

CAS Number: 66104-23-2

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) 3.97 11.26 -39.67 2 2 1 20 315.506 4
Hi High (pH 8-9.5) 3.97 9.51 -4.99 1 2 0 19 314.498 4

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