UCSF

ZINC95707624

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 10 No

Other Names:

MFCD11518975

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) 1.80 1.2 -38.6 1 3 1 39 199.031 0
Lo Low (pH 4.5-6) 1.80 1.63 -98.9 2 3 2 40 200.039 0

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

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