UCSF

ZINC24036463

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2009 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) 3.61 12.86 -13.88 1 8 0 101 384.399 6
Lo Low (pH 4.5-6) 3.61 12.64 -41.4 2 8 1 102 385.407 6

Activity (Go SEA)

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