UCSF

ZINC62934062

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 17 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) 1.98 6.82 -100.47 2 5 1 72 256.713 3
Hi High (pH 8-9.5) 1.98 6.35 -49.04 0 5 -1 69 254.697 3
Mid Mid (pH 6-8) 1.98 6.43 -42.9 1 5 0 70 255.705 3

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

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