UCSF

ZINC37823868

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 No

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Annotations

None

Vendors

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) 0.48 4.03 -43.39 2 4 1 50 252.363 3
Mid Mid (pH 6-8) 0.48 2.79 -9.27 1 4 0 45 251.355 3
Lo Low (pH 4.5-6) 0.48 4.48 -88.56 3 4 2 51 253.371 3

Activity (Go SEA)

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