UCSF

ZINC09302118

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 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) 4.31 11.74 -46.04 2 6 1 71 435.544 10
Mid Mid (pH 6-8) 3.28 1.94 -45.36 1 6 1 68 435.544 11

Activity (Go SEA)

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