UCSF

ZINC41649240

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 3.20 5.84 -12.32 0 9 0 83 510.587 8
Mid Mid (pH 6-8) 3.20 8.1 -52.18 1 9 1 84 511.595 8

Activity (Go SEA)

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