UCSF

ZINC36137284

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 1.75 8.13 -47.63 0 4 -1 60 288.245 6
Lo Low (pH 4.5-6) 1.75 6.15 -9.82 1 4 0 58 289.253 6

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Rings

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