UCSF

ZINC55151045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 23 Yes

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) 1.90 6.18 -57.23 2 6 -1 98 317.365 8
Lo Low (pH 4.5-6) 1.90 4.21 -21.24 3 6 0 95 318.373 8

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Rings

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