UCSF

ZINC40124651

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 25 No

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Annotations

Vendors

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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) 3.15 6.26 -56.9 1 5 -1 82 332.335 3
Mid Mid (pH 6-8) 3.15 5.5 -11.19 2 5 0 80 333.343 3

Activity (Go SEA)

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