UCSF

ZINC36374911

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 19 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) 1.69 8.69 -48.42 0 4 -1 66 263.313 1
Lo Low (pH 4.5-6) 1.69 6.73 -10.41 1 4 0 64 264.321 1

Activity (Go SEA)

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