UCSF

ZINC04065677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 35 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) 8.18 0.29 -6.65 0 4 0 55 510.461 5
Mid Mid (pH 6-8) 8.18 0.3 -9.96 0 4 0 55 510.461 5
Mid Mid (pH 6-8) 8.36 1.76 -12.95 0 4 0 55 510.461 5
Mid Mid (pH 6-8) 8.36 0.42 -7.59 0 4 0 55 510.461 5

Activity (Go SEA)

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