UCSF

ZINC62968723

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 0.19 1.52 -86.94 5 5 2 67 256.394 7
Hi High (pH 8-9.5) 0.19 -1.8 -6.12 3 5 0 62 254.378 7
Mid Mid (pH 6-8) 0.19 0.61 -38.67 4 5 1 63 255.386 7
Lo Low (pH 4.5-6) 0.19 3.99 -202.45 6 5 3 69 257.402 7

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

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