UCSF

ZINC11535667

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 14 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) 0.52 3.21 -35.59 1 4 -1 59 204.234 1
Mid Mid (pH 6-8) 0.52 3.4 -38.64 2 4 0 60 205.242 1
Lo Low (pH 4.5-6) -0.21 3.49 -49.11 3 4 1 63 206.25 1

Activity (Go SEA)

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