UCSF

ZINC12031904

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 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) 3.57 5.99 -15.01 3 4 0 65 280.327 4
Hi High (pH 8-9.5) 3.57 7 -60.43 2 4 -1 68 279.319 4

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

No pre-computed analogs available. Try a structural similarity search.