UCSF

ZINC04812873

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 27 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) 1.31 -3.66 -43.26 2 8 1 84 393.489 8
Mid Mid (pH 6-8) 1.31 -2.66 -104.1 3 8 2 86 394.497 8

Activity (Go SEA)

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