UCSF

ZINC34234599

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 25 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) 3.52 3.33 -46.03 1 6 -1 95 447.208 2
Hi High (pH 8-9.5) 3.52 4.11 -94.1 0 6 -2 98 446.2 2
Mid Mid (pH 6-8) 3.06 5.98 -9.98 2 6 0 92 448.216 2

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