UCSF

ZINC12081182

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 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) 2.86 7.51 -13.42 1 7 0 79 448.734 4
Hi High (pH 8-9.5) 3.04 5.99 -40.7 0 7 -1 85 447.726 4

Activity (Go SEA)

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