UCSF

ZINC20130003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 31 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) 3.12 11.74 -72.17 1 8 0 111 423.469 9
Hi High (pH 8-9.5) 3.12 9.45 -55.15 0 8 -1 109 422.461 9
Lo Low (pH 4.5-6) 3.12 10.92 -59.64 2 8 1 108 424.477 9

Activity (Go SEA)

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