UCSF

ZINC04632222

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 29 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) 0.84 -5.42 -49.31 5 7 1 114 401.414 8
Mid Mid (pH 6-8) 0.26 -5.51 -58.87 4 7 1 111 401.414 8

Activity (Go SEA)

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