UCSF

ZINC20360307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 Yes

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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) 1.50 5.44 -42.34 2 5 1 50 263.365 3
Mid Mid (pH 6-8) 1.50 2.97 -10.47 1 5 0 48 262.357 3
Mid Mid (pH 6-8) 1.50 3.27 -37 2 5 1 50 263.365 3

Activity (Go SEA)

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