UCSF

ZINC33860909

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 37 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) 2.63 14.18 -51.49 1 9 -1 135 504.563 6
Lo Low (pH 4.5-6) 2.63 14.26 -40.16 2 9 0 140 505.571 6

Activity (Go SEA)

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