UCSF

ZINC07165902

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2006 26 No

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Annotations

Vendors

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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) 4.23 6.44 -45.43 0 6 -1 72 367.406 4
Lo Low (pH 4.5-6) 4.23 7.12 -16.5 1 6 0 70 368.414 4

Activity (Go SEA)

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