UCSF

ZINC09241722

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 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) 5.40 0.76 -16.96 0 5 0 55 435.524 8
Lo Low (pH 4.5-6) 5.40 0.88 -54.23 1 5 1 56 436.532 8

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