UCSF

ZINC36125633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 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) 2.21 10.07 -49.83 1 7 1 55 370.477 4
Mid Mid (pH 6-8) 2.21 7.98 -11.84 0 7 0 54 369.469 4
Lo Low (pH 4.5-6) 2.21 10.26 -47.12 1 7 1 55 370.477 4

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

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