UCSF

ZINC38709731

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 22 Yes

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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) 0.72 3.58 -55.14 0 6 -1 81 318.378 5
Mid Mid (pH 6-8) 0.72 3.55 -17.22 1 6 0 79 319.386 5
Lo Low (pH 4.5-6) 0.72 4.04 -55.82 1 6 0 83 319.386 5

Activity (Go SEA)

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