UCSF

ZINC35640987

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 30 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) 4.12 11.94 -43.2 2 7 1 66 435.976 8
Mid Mid (pH 6-8) 4.12 9.64 -8.4 1 7 0 65 434.968 8
Mid Mid (pH 6-8) 4.12 9.83 -36.9 2 7 1 66 435.976 8

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

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