UCSF

ZINC36162203

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 Yes

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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) 1.68 1.64 -43.69 4 3 1 57 230.715 4
Hi High (pH 8-9.5) 1.68 1.19 -4.1 3 3 0 55 229.707 4

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Rings

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