UCSF

ZINC06195443

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 32 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) 5.40 0.46 -10.62 0 5 0 64 431.532 8
Mid Mid (pH 6-8) 5.40 0.11 -14.07 0 5 0 64 431.532 8
Mid Mid (pH 6-8) 5.58 -0.82 -11.37 0 5 0 64 431.532 8

Activity (Go SEA)

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