UCSF

ZINC44825474

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 1.57 6.16 -9.11 1 5 0 79 260.293 6
Hi High (pH 8-9.5) 1.76 4.2 -42.14 0 5 -1 86 259.285 6

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Rings

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