UCSF

ZINC59338767

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 29 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) -4.48 -6.25 -361.33 4 17 -4 282 479.124 8
Mid Mid (pH 6-8) -4.48 -7.41 -226.89 5 17 -3 279 480.132 8

Activity (Go SEA)

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