UCSF

ZINC41789972

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 26 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) 2.12 6.19 -37.47 3 6 1 66 381.928 8
Hi High (pH 8-9.5) 2.12 3.91 -7.5 2 6 0 65 380.92 8

Activity (Go SEA)

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