UCSF

ZINC31973198

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 4.20 11.04 -58.77 1 5 0 68 336.391 5
Mid Mid (pH 6-8) 4.20 10.64 -58.23 0 5 -1 67 335.383 5

Activity (Go SEA)

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