UCSF

ZINC31787993

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 22 No

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Annotations

None

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) 3.40 8.08 -55.92 1 4 -1 55 326.426 3
Mid Mid (pH 6-8) 2.67 8.42 -34.27 2 4 0 58 327.434 3

Activity (Go SEA)

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