UCSF

ZINC40096473

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 38 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) 1.91 5.73 -67.97 1 10 -1 127 526.562 12
Lo Low (pH 4.5-6) 1.91 4.98 -22.23 2 10 0 124 527.57 12

Activity (Go SEA)

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