UCSF

ZINC05829786

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 29 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) 3.57 9.92 -16.18 2 6 0 95 389.386 5
Hi High (pH 8-9.5) 3.75 7.26 -57.16 1 6 -1 101 388.378 5

Activity (Go SEA)

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