UCSF

ZINC02219093

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 34 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) 3.68 6.3 -15.06 3 8 0 108 465.55 8
Hi High (pH 8-9.5) 3.45 5.93 -62.73 1 8 -1 107 464.542 8
Hi High (pH 8-9.5) 3.45 7.05 -55.85 1 8 -1 107 464.542 8
Hi High (pH 8-9.5) 3.68 7.31 -47.49 2 8 -1 111 464.542 8

Activity (Go SEA)

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