UCSF

ZINC03874570

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 22 No

CAS Numbers: 196618-13-0 , 204255-11-8

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) 0.85 4.35 -56.99 4 6 1 92 313.418 8
Hi High (pH 8-9.5) 0.85 5.03 -10.32 3 6 0 91 312.41 8

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