UCSF

ZINC02241028

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2004 33 Yes

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Annotations

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) 4.89 8.17 -12.03 3 6 0 89 439.515 4
Hi High (pH 8-9.5) 4.66 8.5 -53.64 1 6 -1 88 438.507 4
Hi High (pH 8-9.5) 4.66 9.07 -52.76 1 6 -1 88 438.507 4
Hi High (pH 8-9.5) 4.89 9.06 -35.89 2 6 -1 92 438.507 4

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