UCSF

ZINC39917004

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 28 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) 5.22 13.77 -39.1 1 4 1 31 398.958 8
Mid Mid (pH 6-8) 5.22 11.36 -11.59 0 4 0 30 397.95 8
Mid Mid (pH 6-8) 5.22 12.08 -27.75 1 4 1 32 398.958 8

Activity (Go SEA)

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