UCSF

ZINC12402752

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 35 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) 3.95 1.66 -14.95 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 4.13 1.81 -13.95 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 4.13 3.2 -27.51 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 3.95 1.73 -15.57 0 8 0 101 497.569 8

Activity (Go SEA)

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