UCSF

ZINC31973084

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 4.06 10.29 -54.78 0 4 -1 57 311.748 3
Lo Low (pH 4.5-6) 4.06 10.7 -59.54 1 4 0 59 312.756 3

Activity (Go SEA)

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