UCSF

ZINC36542258

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 28 No

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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) 4.47 4.88 -45.3 1 6 -1 95 442.289 4
Hi High (pH 8-9.5) 4.47 5.66 -94.08 0 6 -2 98 441.281 4

Activity (Go SEA)

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