UCSF

ZINC41662419

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 3.26 8.72 -16.37 0 7 0 70 453.498 4
Lo Low (pH 4.5-6) 3.26 9.18 -51.2 1 7 1 71 454.506 4

Activity (Go SEA)

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