UCSF

ZINC22061375

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 2.48 13.59 -60.43 3 9 1 100 510.622 7
Mid Mid (pH 6-8) 2.48 13.46 -64.97 3 9 1 100 510.622 7
Mid Mid (pH 6-8) 2.48 11.13 -27.1 2 9 0 99 509.614 7

Activity (Go SEA)

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