UCSF

ZINC20171997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 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 10.25 -73.71 1 7 0 83 436.508 10
Hi High (pH 8-9.5) 3.12 7.72 -58.82 0 7 -1 82 435.5 10
Lo Low (pH 4.5-6) 3.12 9.44 -52.2 2 7 1 81 437.516 10

Activity (Go SEA)

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