UCSF

ZINC09068611

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 37 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) 4.29 10.29 -47.06 2 8 1 90 509.623 9
Mid Mid (pH 6-8) 3.26 10.95 -48.43 1 8 1 87 509.623 10

Activity (Go SEA)

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