UCSF

ZINC04755743

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 31 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) 1.68 -1.04 -56.2 2 7 1 84 422.505 7
Mid Mid (pH 6-8) 1.10 -1.21 -65.26 1 7 1 81 422.505 7
Lo Low (pH 4.5-6) 2.13 -1.31 -120.58 3 7 2 85 423.513 6

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