UCSF

ZINC36118643

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 0.16 4.62 -40.84 3 6 1 85 410.538 4
Hi High (pH 8-9.5) 3.75 6.99 -13.15 2 6 0 82 409.53 5
Mid Mid (pH 6-8) 0.17 6.25 -109.93 4 6 2 87 411.546 4
Mid Mid (pH 6-8) 0.16 5.41 -24.67 2 6 0 88 409.53 4

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

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