UCSF

ZINC34610159

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) -2.21 -5.63 -16.68 5 8 0 123 242.235 3
Lo Low (pH 4.5-6) -2.21 -5.84 -53.18 6 8 1 124 243.243 3

Activity (Go SEA)

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