UCSF

ZINC28020810

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 38 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) -5.16 1.54 -169.44 14 15 2 269 543.67 16
Hi High (pH 8-9.5) -5.16 0.2 -131.71 13 15 1 267 542.662 16
Mid Mid (pH 6-8) -5.12 1.17 -128.29 13 15 1 265 542.662 17

Activity (Go SEA)

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