UCSF

ZINC59460353

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 21 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) 5.48 6.36 -42.75 1 4 -1 60 311.471 10
Mid Mid (pH 6-8) 5.48 6.19 -10.14 2 4 0 58 312.479 10

Activity (Go SEA)

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