UCSF

ZINC59861168

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 29 No

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Annotations

None

Vendors

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) 1.72 2.71 -52.43 1 8 -1 114 395.391 6
Lo Low (pH 4.5-6) 1.26 5.14 -15.77 2 8 0 111 396.399 6

Activity (Go SEA)

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