UCSF

ZINC31539692

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 24 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) -1.88 -4.75 -152.94 5 13 -2 212 361.207 4
Mid Mid (pH 6-8) -1.42 -6.05 -225.46 4 13 -3 215 360.199 4
Lo Low (pH 4.5-6) -1.88 -5.91 -58.59 6 13 -1 209 362.215 4

Activity (Go SEA)

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