UCSF

ZINC58328962

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 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) 2.41 7.43 -58.41 4 5 1 62 310.425 5
Mid Mid (pH 6-8) 2.41 7.59 -102.63 5 5 2 63 311.433 5
Lo Low (pH 4.5-6) 2.08 7.68 -187.73 5 5 3 62 312.441 5
Lo Low (pH 4.5-6) 2.08 7.68 -187.88 5 5 3 62 312.441 5

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

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