UCSF

ZINC00716983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 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) 4.81 2.14 -7.48 0 4 0 55 375.415 5
Mid Mid (pH 6-8) 4.99 2.25 -9.77 0 4 0 55 375.415 5
Mid Mid (pH 6-8) 4.99 3.39 -11.2 0 4 0 55 375.415 5
Mid Mid (pH 6-8) 4.81 2.09 -11.6 0 4 0 55 375.415 5

Activity (Go SEA)

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