UCSF

ZINC05235302

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 30 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) 2.54 -0.42 -43.84 2 6 1 75 428.578 9
Mid Mid (pH 6-8) 1.95 -0.56 -51.33 1 6 1 71 428.578 9

Activity (Go SEA)

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