UCSF

ZINC59272586

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 35 No

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Annotations

Vendors

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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) -2.24 -12.9 -16.65 8 14 0 225 506.457 8
Mid Mid (pH 6-8) -2.24 -12.18 -43.54 7 14 -1 228 505.449 8

Activity (Go SEA)

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