UCSF

ZINC31938252

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 No

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Annotations

Vendors

    None

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) 1.31 2.11 -41.43 2 6 0 86 315.373 4
Hi High (pH 8-9.5) 1.31 -0.1 -41.31 1 6 -1 85 314.365 4
Mid Mid (pH 6-8) 0.75 2.17 -43.4 2 6 0 86 315.373 4

Activity (Go SEA)

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