UCSF

ZINC15321058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 34 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) 3.72 8.31 -15.95 1 8 0 112 483.542 7
Mid Mid (pH 6-8) 3.90 8.05 -14.37 1 8 0 112 483.542 7
Mid Mid (pH 6-8) 3.90 8.98 -16.4 1 8 0 112 483.542 7
Mid Mid (pH 6-8) 3.72 8.31 -15.24 1 8 0 112 483.542 7

Activity (Go SEA)

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