UCSF

ZINC09282188

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 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) 1.89 8.22 -54.62 2 7 1 84 442.923 7
Mid Mid (pH 6-8) 1.31 -1.61 -63.48 1 7 1 81 442.923 7

Activity (Go SEA)

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