UCSF

ZINC34222299

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) 5.44 8.83 -12.37 2 5 0 78 369.833 1
Ref Reference (pH 7) 5.44 8.52 -12.86 2 5 0 78 369.833 1
Mid Mid (pH 6-8) 5.90 6.75 -53.14 1 5 -1 81 368.825 1
Mid Mid (pH 6-8) 5.90 6.73 -50.5 1 5 -1 81 368.825 1
Mid Mid (pH 6-8) 5.90 7.25 -50.67 1 5 -1 81 368.825 1
Mid Mid (pH 6-8) 5.90 7.02 -49.69 1 5 -1 81 368.825 1

Activity (Go SEA)

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