UCSF

ZINC00798004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 29 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) 2.21 9.52 -45.65 2 6 1 75 394.495 7
Lo Low (pH 4.5-6) 2.66 10.04 -112.03 3 6 2 76 395.503 6

Activity (Go SEA)

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