UCSF

ZINC09380533

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 32 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) 3.18 7.46 -47.56 3 7 1 92 459.95 9
Mid Mid (pH 6-8) 2.59 8.16 -56.22 2 7 1 88 459.95 9

Activity (Go SEA)

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