UCSF

ZINC36127774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 0.58 2.58 -93.95 6 6 2 90 294.399 8
Hi High (pH 8-9.5) 0.58 0.53 -53.97 5 6 1 89 293.391 8

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Rings

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