UCSF

ZINC16216926

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 32 No

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Annotations

Vendors

    None

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) 4.79 10.67 -51.65 0 5 -1 67 437.5 3
Lo Low (pH 4.5-6) 4.33 12.61 -12.26 1 5 0 64 438.508 3

Activity (Go SEA)

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