UCSF

ZINC15869273

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2008 17 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) 0.25 5.97 -49.2 2 7 1 91 241.271 5
Hi High (pH 8-9.5) 0.25 2.69 -16.45 1 7 0 87 240.263 5
Lo Low (pH 4.5-6) 0.25 6.45 -91.89 3 7 2 92 242.279 5

Activity (Go SEA)

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