UCSF

ZINC39856054

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.49 11.05 -43.89 5 8 1 128 420.493 5
Hi High (pH 8-9.5) 3.49 11.01 -23.3 4 8 0 127 419.485 5
Lo Low (pH 4.5-6) 3.49 11.46 -69.51 6 8 2 130 421.501 5

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