UCSF

ZINC45658020

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 Yes

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) 3.03 7.96 -43.11 3 3 0 30 270.461 6
Hi High (pH 8-9.5) 3.03 7.06 -1.24 2 3 0 26 269.453 6
Hi High (pH 8-9.5) 3.03 7.71 -37.23 2 3 1 29 269.453 6

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