UCSF

ZINC13161938

Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2008 28 No

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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 8.89 -58.78 0 5 -1 74 376.363 5
Mid Mid (pH 6-8) 2.57 10.18 -12.99 0 5 0 68 377.371 5
Mid Mid (pH 6-8) 3.60 9.23 -17.84 1 5 0 71 377.371 4

Activity (Go SEA)

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