UCSF

ZINC41538602

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 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) 1.46 5.13 -57.87 0 7 -1 92 342.327 5
Lo Low (pH 4.5-6) 1.46 4.24 -12.14 1 7 0 89 343.335 5

Activity (Go SEA)

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