UCSF

ZINC12080985

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 26 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) 3.34 6.96 -11.35 1 5 0 59 384.741 4
Hi High (pH 8-9.5) 3.52 5.3 -34.91 0 5 -1 65 383.733 4

Activity (Go SEA)

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