UCSF

ZINC42912711

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) -0.20 4.58 -16.67 0 5 0 41 300.453 3
Mid Mid (pH 6-8) -0.20 6.95 -46.41 1 5 1 43 301.461 3

Activity (Go SEA)

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