UCSF

ZINC21796803

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 0.97 1.7 -39.76 3 7 -1 123 288.312 4
Mid Mid (pH 6-8) 0.97 2.19 -39.27 4 7 0 124 289.32 4
Mid Mid (pH 6-8) 0.97 1.64 -16.06 4 7 0 121 289.32 4

Activity (Go SEA)

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