UCSF

ZINC37843260

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.89 0.78 -37.93 1 6 -1 94 360.264 7
Hi High (pH 8-9.5) 1.89 0.94 -109.04 0 6 -2 96 359.256 7
Mid Mid (pH 6-8) 1.89 0.79 -15.49 2 6 0 92 361.272 7

Activity (Go SEA)

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