UCSF

ZINC09424436

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 33 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) 3.11 7.61 -60.49 1 9 -1 136 453.471 10
Mid Mid (pH 6-8) 2.52 7.54 -27.3 1 9 0 130 454.479 10
Mid Mid (pH 6-8) 3.55 6.56 -35.47 2 9 0 133 454.479 9

Activity (Go SEA)

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