UCSF

ZINC02614500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 34 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) 5.72 8.38 -23.7 3 7 0 107 490.61 6
Mid Mid (pH 6-8) 6.18 7.14 -54.03 2 7 -1 111 489.602 6

Activity (Go SEA)

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